1-methyl-N-[2-(2-methylanilino)-5-(1-methylpyrazol-4-yl)-3-pyridinyl]indazole-4-carboxamide

C25H23N7O — CID 176509985

IUPAC1-methyl-N-[2-(2-methylanilino)-5-(1-methylpyrazol-4-yl)-3-pyridinyl]indazole-4-carboxamide
SMILESCc1ccccc1Nc1ncc(-c2cnn(C)c2)cc1NC(=O)c1cccc2c1cnn2C
InChIInChI=1S/C25H23N7O/c1-16-7-4-5-9-21(16)29-24-22(11-17(12-26-24)18-13-27-31(2)15-18)30-25(33)19-8-6-10-23-20(19)14-28-32(23)3/h4-15H,1-3H3,(H,26,29)(H,30,33)
InChIKeyQHTDUKKZLNMMJC-UHFFFAOYSA-N
MW437.51 g/mol
LogP4.67
Rot. Bonds5

About 1-methyl-N-[2-(2-methylanilino)-5-(1-methylpyrazol-4-yl)-3-pyridinyl]indazole-4-carboxamide

1-methyl-N-[2-(2-methylanilino)-5-(1-methylpyrazol-4-yl)-3-pyridinyl]indazole-4-carboxamide (PubChem CID 176509985) has the molecular formula C25H23N7O and a molecular weight of 437.51 g/mol. Its IUPAC name is 1-methyl-N-[2-(2-methylanilino)-5-(1-methylpyrazol-4-yl)-3-pyridinyl]indazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-(2-methylanilino)-5-(1-methylpyrazol-4-yl)-3-pyridinyl]indazole-4-carboxamide
PubChem CID176509985
Molecular FormulaC25H23N7O
Molecular Weight437.51 g/mol
Exact Mass437.20
IUPAC Name1-methyl-N-[2-(2-methylanilino)-5-(1-methylpyrazol-4-yl)-3-pyridinyl]indazole-4-carboxamide
SMILESCc1ccccc1Nc1ncc(-c2cnn(C)c2)cc1NC(=O)c1cccc2c1cnn2C
InChIInChI=1S/C25H23N7O/c1-16-7-4-5-9-21(16)29-24-22(11-17(12-26-24)18-13-27-31(2)15-18)30-25(33)19-8-6-10-23-20(19)14-28-32(23)3/h4-15H,1-3H3,(H,26,29)(H,30,33)
InChIKeyQHTDUKKZLNMMJC-UHFFFAOYSA-N
XLogP4.67
TPSA89.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.51
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(2-methylanilino)-5-(1-methylpyrazol-4-yl)-3-pyridinyl]quinoline-8-carboxamide
CID 176509994
3-fluoro-N-[2-(2-methylanilino)-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-5-(trifluoromethyl)benzamide
CID 167512016
5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-6-(2-methylanilino)-N-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 167512259
N-[5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-2-(2-methylanilino)-3-pyridinyl]naphthalene-1-carboxamide
CID 167511967
N-(1,5-dimethylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19513019
5-[(4-fluoro-3,5-dimethylbenzoyl)amino]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide
CID 167512340
8-chloro-N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]indolizine-2-carboxamide
CID 176510169
N-(2,6-dimethylphenyl)-4-(1-methylpyrazol-4-yl)-2-phenylmethoxybenzamide
CID 135143780
N-(3-chloro-2-methylphenyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512920
2-amino-1-(1-methylindazol-4-yl)ethanone
CID 131191051
5-(1-benzothiophene-3-carbonylamino)-6-(2-methylanilino)-N-(2-methylindazol-6-yl)pyridine-3-carboxamide
CID 176510263
5-(1-benzothiophene-3-carbonylamino)-6-(2-methylanilino)-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide
CID 176510239

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(2-methylanilino)-5-(1-methylpyrazol-4-yl)-3-pyridinyl]indazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[2-(2-methylanilino)-5-(1-methylpyrazol-4-yl)-3-pyridinyl]indazole-4-carboxamide (CID 176509985) is 1-methyl-N-[2-(2-methylanilino)-5-(1-methylpyrazol-4-yl)-3-pyridinyl]indazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-(2-methylanilino)-5-(1-methylpyrazol-4-yl)-3-pyridinyl]indazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[2-(2-methylanilino)-5-(1-methylpyrazol-4-yl)-3-pyridinyl]indazole-4-carboxamide is Cc1ccccc1Nc1ncc(-c2cnn(C)c2)cc1NC(=O)c1cccc2c1cnn2C.
What is the InChIKey of 1-methyl-N-[2-(2-methylanilino)-5-(1-methylpyrazol-4-yl)-3-pyridinyl]indazole-4-carboxamide?
The InChIKey is QHTDUKKZLNMMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7O/c1-16-7-4-5-9-21(16)29-24-22(11-17(12-26-24)18-13-27-31(2)15-18)30-25(33)19-8-6-10-23-20(19)14-28-32(23)3/h4-15H,1-3H3,(H,26,29)(H,30,33).
What are the key properties of 1-methyl-N-[2-(2-methylanilino)-5-(1-methylpyrazol-4-yl)-3-pyridinyl]indazole-4-carboxamide?
1-methyl-N-[2-(2-methylanilino)-5-(1-methylpyrazol-4-yl)-3-pyridinyl]indazole-4-carboxamide has a molecular weight of 437.51 g/mol, XLogP of 4.67, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(2-methylanilino)-5-(1-methylpyrazol-4-yl)-3-pyridinyl]indazole-4-carboxamide is sourced from PubChem (CID 176509985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).